Name: 1H-Pyrazole-3-carboxylicacid,5-amino-
SKU: 124004-31-5

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Basic Information

Molecular Structure:
CAS No.:	124004-31-5
Name:	1H-Pyrazole-3-carboxylicacid,5-amino-
Article Data:	5

Formula:	C₄H₅N₃O₂
Molecular Weight:	127.103
Synonyms:	5-Amino-1H-pyrazole-3-carboxylic acid;3-Carboxy-5-aminopyrazole;
Density:	1.677 g/cm³
Melting Point:	245-246 °C(Solv: water (7732-18-5))
Boiling Point:	561.2 °C at 760 mmHg
Flash Point:	293.2 °C
PSA:	92.00000
LogP:	0.27130

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Specification

The 1H-Pyrazole-3-carboxylicacid, 5-amino-, with the CAS registry number of 124004-31-5, is also known as 1H-Pyrazole-5-amino-3-carboxylic acid. It belongs to the product categories of Carboxylicacid; Aminoacid. This chemical's molecular formula is C₄H₅N₃O₂ and molecular weight is 127.1014. What's more, its systematic name is called 5-Amino-1H-pyrazole-3-carboxylic acid.

Physical properties about 1H-Pyrazole-3-carboxylicacid, 5-amino- are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.77; (4)ACD/LogD (pH 7.4): -4.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 29.94 cm³; (15)Molar Volume: 75.7 cm³; (16)Surface Tension: 116.4 dyne/cm; (17)Density: 1.677 g/cm³; (18)Flash Point: 293.2 °C; (19)Enthalpy of Vaporization: 88.79 kJ/mol; (20)Boiling Point: 561.2 °C at 760 mmHg; (21)Vapour Pressure: 1.98E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(nn1)N
(2) InChI: InChI=1/C4H5N3O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,8,9)(H3,5,6,7)
(3) InChIKey: ICASMSGEUGPHGI-UHFFFAOYAL